SCHEMBL4048148

SCHEMBL4048148

O=c1oc2cc(O)ccc2cc1C(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.58
ESR2 Q92731 2/20 0.55
MIF P14174 12/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GLA P06280 4/20 0.54
GAA P10253 4/20 0.54
S1PR4 O95977 2/20 0.54
MAPT P10636 2/20 0.54
S1PR1 P21453 2/20 0.54
CA9 Q16790 2/20 0.54
PTGS1 P23219 1/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
NPC1 O15118 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phosphoric Acid SCHEMBL3273967 0.94 HSD17B3 (0.53) HSD17B3ESR2MIFMEN1KMT2A
SCHEMBL15961994 0.83 HSD17B3 (0.63) HSD17B3ESR2MIFMEN1KMT2A
SCHEMBL19480350 0.78 HSD17B3 (0.56) HSD17B3ESR2MIFMEN1KMT2A
SCHEMBL9436011 0.78 MIF (0.60) HSD17B3ESR2MIFMEN1KMT2A
SCHEMBL620973 0.77 HPGD (0.55) ESR2KDM4EGLAGAAMAPT
SCHEMBL10794401 0.77 HSD17B3 (0.64) HSD17B3ESR2MIFMEN1KMT2A
SCHEMBL5296804 0.77 HSD17B3 (0.68) HSD17B3ESR2MIFMEN1KMT2A
SCHEMBL3273965 0.75 STS (0.48) MEN1KMT2AKDM4EGLAGAA
SCHEMBL10789981 0.74 HSD17B3 (0.64) HSD17B3ESR2MIFMEN1KMT2A
SCHEMBL1607902 0.74 HSD17B3 (0.64) HSD17B3ESR2MIFMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed